CID 80143168

2-(6,6-dimethylmorpholin-2-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC1(CNCC(O1)CC(=O)O)C
InChI
InChI=1S/C8H15NO3/c1-8(2)5-9-4-6(12-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKey
ONGVAFMXVCXFMU-UHFFFAOYSA-N
Compound name
2-(6,6-dimethylmorpholin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.0
[M+Na]+ 196.09442 143.8
[M-H]- 172.09792 137.8
[M+NH4]+ 191.13902 156.2
[M+K]+ 212.06836 143.6
[M+H-H2O]+ 156.10246 133.0
[M+HCOO]- 218.10340 153.2
[M+CH3COO]- 232.11905 173.7
[M+Na-2H]- 194.07987 143.1
[M]+ 173.10465 134.4
[M]- 173.10575 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.